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Benzo[b]thiophene-5,6-dicarboxylic acid, 2-bromo-4-methyl-, dimethyl ester
SpectraBase Compound ID B9OzjoDStUV
InChI InChI=1S/C13H11BrO4S/c1-6-7-5-10(14)19-9(7)4-8(12(15)17-2)11(6)13(16)18-3/h4-5H,1-3H3
InChIKey QRZGZLVCWCKFQM-UHFFFAOYSA-N
Mol Weight 343.19 g/mol
Molecular Formula C13H11BrO4S
Exact Mass 341.956143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NrlxnbbOid
Name Benzo[b]thiophene-5,6-dicarboxylic acid, 2-bromo-4-methyl-, dimethyl ester
Alternate Name(s) Dimethyl 2-bromo-4-methyl-1-benzothiophene-5,6-dicarboxylate Dimethyl 2-bromo-4-methylbenzothiophene-5,6-dicarboxylate
CAS Registry Number 132526-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrO4S
InChI InChI=1S/C13H11BrO4S/c1-6-7-5-10(14)19-9(7)4-8(12(15)17-2)11(6)13(16)18-3/h4-5H,1-3H3
InChIKey QRZGZLVCWCKFQM-UHFFFAOYSA-N
Molecular Weight 343.191 g/mol
SMILES c1(c(c(C)c2c(c1)sc(Br)c2)C(=O)OC)C(=O)OC
SPLASH splash10-03di-0029000000-7ceae026aba29ad24f7b
Source of Spectrum KC-1990-2918-27
Wiley ID 1336218